[2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine

C14H19N3S — CID 117183148

IUPAC[2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
SMILESNCc1cccc2cc(CN3CCNCC3)sc12
InChIInChI=1S/C14H19N3S/c15-9-12-3-1-2-11-8-13(18-14(11)12)10-17-6-4-16-5-7-17/h1-3,8,16H,4-7,9-10,15H2
InChIKeyKLUKIVUUABCMJU-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.77
Rot. Bonds3

About [2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine

[2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine (PubChem CID 117183148) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is [2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine.

Molecular Properties

Compound Name[2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
PubChem CID117183148
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name[2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
SMILESNCc1cccc2cc(CN3CCNCC3)sc12
InChIInChI=1S/C14H19N3S/c15-9-12-3-1-2-11-8-13(18-14(11)12)10-17-6-4-16-5-7-17/h1-3,8,16H,4-7,9-10,15H2
InChIKeyKLUKIVUUABCMJU-UHFFFAOYSA-N
XLogP1.77
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine
CID 117196518
4-[2-(piperazin-1-ylmethyl)thieno[2,3-c]pyridin-7-yl]morpholine
CID 121395999
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
1-[(7-methyl-1-benzothiophen-2-yl)methyl]azepane
CID 117186431
4-[(7-bromo-1-benzothiophen-2-yl)methyl]morpholine
CID 117183219
1-[(6-bromo-1-benzothiophen-2-yl)methyl]piperazine
CID 82667803
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
dibromocobalt;1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine
CID 154596524
1-(thieno[3,2-b]thiophen-5-ylmethyl)piperazine
CID 80745758
methanethiol;3-[7-morpholin-4-yl-2-(piperazin-1-ylmethyl)thieno[2,3-c]pyridin-5-yl]aniline
CID 145097074
1-(thiophen-2-ylmethyl)piperazine
CID 566208
[2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine
CID 117183170

Frequently Asked Questions

What is the IUPAC name of [2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine?
The IUPAC name of [2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine (CID 117183148) is [2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine.
What is the SMILES notation for [2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine?
The canonical SMILES for [2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine is NCc1cccc2cc(CN3CCNCC3)sc12.
What is the InChIKey of [2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine?
The InChIKey is KLUKIVUUABCMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c15-9-12-3-1-2-11-8-13(18-14(11)12)10-17-6-4-16-5-7-17/h1-3,8,16H,4-7,9-10,15H2.
What are the key properties of [2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine?
[2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine has a molecular weight of 261.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine is sourced from PubChem (CID 117183148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).